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Homoeriodictyol

CAT: 0127-BUP00464-01Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
446-71-9
Purity
=98%
Smiles
COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1

Chemical Information

Homoeriodictyol

Homoeriodictyol is a trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. It has a role as a metabolite and a flavouring agent. It is a member of 4'-hydroxyflavanones, a member of 3'-methoxyflavanones, a monomethoxyflavanone and a trihydroxyflavanone. It is functionally related to an eriodictyol.

CAS Number446-71-9
PubChem CID73635
IUPAC Name(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O6
Molecular Weight302.28
XLogP2.4
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
InChIKey
FTODBIPDTXRIGS-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Homoeriodictyol
CAS: 446-71-9
CID: 73635
Formula: C16H14O6
MW: 302.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.28
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass302.07903816
Monoisotopic Mass302.07903816
Topological Polar Surface Area96.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2648Homoeriodictyol
TN11275-01(±) -Homoeriodictyol
TRC-D690970-250MG(±)Homoeriodictyol
HY-W749844Homoeriodictyol chalcone
HY-N8210RHomoeriodictyol (Standard)
MBS5762527Homoeriodictyol 7-O-glucoside
TN4222Homoeriodictyol 7-O-β-D-glucoside

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